1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol

C14H19FO3 — CID 117389108

IUPAC1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
SMILESCOc1cc(C(C)(C)F)c(C2(O)CC2)cc1OC
InChIInChI=1S/C14H19FO3/c1-13(2,15)9-7-11(17-3)12(18-4)8-10(9)14(16)5-6-14/h7-8,16H,5-6H2,1-4H3
InChIKeyJRGGDWYPLMIRAJ-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.89
Rot. Bonds4

About 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol

1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol (PubChem CID 117389108) has the molecular formula C14H19FO3 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
PubChem CID117389108
Molecular FormulaC14H19FO3
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
SMILESCOc1cc(C(C)(C)F)c(C2(O)CC2)cc1OC
InChIInChI=1S/C14H19FO3/c1-13(2,15)9-7-11(17-3)12(18-4)8-10(9)14(16)5-6-14/h7-8,16H,5-6H2,1-4H3
InChIKeyJRGGDWYPLMIRAJ-UHFFFAOYSA-N
XLogP2.89
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropyl]methanamine
CID 117421894
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
CID 117435002
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917
1-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]cyclopropan-1-ol
CID 117398910
1-[4-(2-fluoropropan-2-yl)-2,5-dimethoxyphenyl]cyclobutane-1-carboxylic acid
CID 117477560
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
1-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 117488350
2-(1-hydroxycyclopropyl)-4-methoxy-6-(trifluoromethyl)phenol
CID 84803553
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-ol
CID 117384091
1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
CID 117349200
2-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]acetic acid
CID 117484005
1-[1-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]cyclopropyl]ethanamine
CID 117459525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol (CID 117389108) is 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol is COc1cc(C(C)(C)F)c(C2(O)CC2)cc1OC.
What is the InChIKey of 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol?
The InChIKey is JRGGDWYPLMIRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO3/c1-13(2,15)9-7-11(17-3)12(18-4)8-10(9)14(16)5-6-14/h7-8,16H,5-6H2,1-4H3.
What are the key properties of 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol?
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol is sourced from PubChem (CID 117389108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).